3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid

C7H7Br2NO4S2 — CID 43091654

IUPAC3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H7Br2NO4S2/c8-5-3-4(7(9)15-5)16(13,14)10-2-1-6(11)12/h3,10H,1-2H2,(H,11,12)
InChIKeyZUTSPGDXCYXRSW-UHFFFAOYSA-N
MW393.08 g/mol
LogP2.03
Rot. Bonds5

About 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid

3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid (PubChem CID 43091654) has the molecular formula C7H7Br2NO4S2 and a molecular weight of 393.08 g/mol. Its IUPAC name is 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid
PubChem CID43091654
Molecular FormulaC7H7Br2NO4S2
Molecular Weight393.08 g/mol
Exact Mass390.82
IUPAC Name3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1cc(Br)sc1Br
InChIInChI=1S/C7H7Br2NO4S2/c8-5-3-4(7(9)15-5)16(13,14)10-2-1-6(11)12/h3,10H,1-2H2,(H,11,12)
InChIKeyZUTSPGDXCYXRSW-UHFFFAOYSA-N
XLogP2.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.08
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid (CID 43091654) is 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid is O=C(O)CCNS(=O)(=O)c1cc(Br)sc1Br.
What is the InChIKey of 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid?
The InChIKey is ZUTSPGDXCYXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2NO4S2/c8-5-3-4(7(9)15-5)16(13,14)10-2-1-6(11)12/h3,10H,1-2H2,(H,11,12).
What are the key properties of 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid?
3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid has a molecular weight of 393.08 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dibromothiophen-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43091654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).